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- PDB-1iu6: Neutron Crystal Structure of the rubredoxin mutant from Pyrococcu... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1iu6 | ||||||
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Title | Neutron Crystal Structure of the rubredoxin mutant from Pyrococcus Furiosus | ||||||
![]() | rubredoxin | ||||||
![]() | ELECTRON TRANSPORT / rubredoxin / mutant / hydrogen / hydration / thermostability | ||||||
Function / homology | ![]() alkane catabolic process / electron transfer activity / iron ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | NEUTRON DIFFRACTION / NUCLEAR REACTOR / ![]() | ||||||
![]() | Chatake, T. / Kurihara, K. / Tanaka, I. / Tsyba, I. / Bau, R. / Jenney, F.E. / Adams, M.W.W. / Niimura, N. | ||||||
![]() | ![]() Title: A neutron crystallographic analysis of a rubredoxin mutant at 1.6 A resolution. Authors: Chatake, T. / Kurihara, K. / Tanaka, I. / Tsyba, I. / Bau, R. / Jenney, F.E. / Adams, M.W. / Niimura, N. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 30.7 KB | Display | ![]() |
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PDB format | ![]() | 20.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 311.7 KB | Display | ![]() |
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Full document | ![]() | 311.7 KB | Display | |
Data in XML | ![]() | 2.3 KB | Display | |
Data in CIF | ![]() | 3.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components
#1: Protein | Mass: 5863.470 Da / Num. of mol.: 1 / Mutation: W3Y, I23V, L32I Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-FE / |
#3: Chemical | ChemComp-DOD / |
-Experimental details
-Experiment
Experiment | Method: NEUTRON DIFFRACTION / Number of used crystals: 1 |
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Sample preparation
Crystal grow | Method: vapor diffusion / Details: Na/K phosphate, VAPOR DIFFUSION | ||||||||||||||||||||||||||||||
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Crystal grow | *PLUS pH: 8 / Method: vapor diffusion, hanging dropDetails: used macroseeding, Bau, R., (1998) J.BIOL.INORG.CHEM., 3, 484. | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 299 K |
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Diffraction source | Source: NUCLEAR REACTOR / Site: JRR-3M ![]() |
Detector | Detector: DIFFRACTOMETER / Date: Nov 15, 2000 / Details: JAERI BIX-3 |
Radiation | Monochromator: ELASTICALLY-BENT PERFECT SILICON MONOCHROMATOR Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: neutron |
Radiation wavelength | Wavelength: 2.345 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→100 Å / Num. all: 6584 / Num. obs: 6584 / % possible obs: 87.5 % / Redundancy: 2.9 % / Biso Wilson estimate: 9.1 Å2 / Rmerge(I) obs: 0.091 / Net I/σ(I): 19.5 |
Reflection shell | Resolution: 1.6→1.66 Å / Redundancy: 1.9 % / Rmerge(I) obs: 0.254 / % possible all: 66 |
Reflection | *PLUS Lowest resolution: 100 Å / Num. measured all: 19385 |
Reflection shell | *PLUS % possible obs: 66 % |
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Processing
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Refinement | Method to determine structure: ![]()
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Displacement parameters | Biso mean: 13.4 Å2 | ||||||||||||||||
Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.6→10 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.6→1.7 Å /
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Refinement | *PLUS Lowest resolution: 10 Å / Rfactor Rfree: 0.23 / Rfactor Rwork: 0.196 | ||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||
Displacement parameters | *PLUS |